COc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)C[C@H]3C[C@@]312
SMILES: COc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)C[C@H]3C[C@@]312

Molecular Processing

Molecular formula
C21H28O2
Molecular weight
312.45
Exact mass
312.2089
XLogP
4.16
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
90.6

Supplementary Information

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